Chemical ID: 7090415

C1CNCCN(C1)CCCN2CCOCC2
Chemical ID:
7090415
Name [?]:
1-(3-morpholinopropyl)-1,4-diazepane
SMILES [?]:
C1CNCCN(C1)CCCN2CCOCC2
InChi [?]:
InChI=1/C12H25N3O/c1-3-13-4-8-14(5-1)6-2-7-15-9-11-16-12-10-15/h13H,1-12H2
InChi Info:
AuxInfo=1/0/N:1,9,2,4,7,8,10,5,12,16,13,15,3,6,11,14/E:(9,10)(11,12)/rA:16cCCNCCNCCCCNCCOCC/rB:s1;s2;s3;s4;s5;s1s6;s6;s8;s9;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H25N3O
All Atoms:41
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.58604
Area:421.695
Solvation:-2.95633
Coulombic:-26.2026
Bond Count [?]
All:17
Single:17
Double:0
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:227.347
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.36
LogP (Chemaxon):-0.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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